[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol

C12H17F3N4O — CID 102720689

IUPAC[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
SMILESNNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19)
InChIKeyMJAWSAXNEIAYNU-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.10
Rot. Bonds4

About [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol

[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol (PubChem CID 102720689) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
PubChem CID102720689
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol
SMILESNNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19)
InChIKeyMJAWSAXNEIAYNU-UHFFFAOYSA-N
XLogP2.10
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol (CID 102720689) is [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol is NNc1cc(C(F)(F)F)cc(NC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
The InChIKey is MJAWSAXNEIAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-5-9(17-10(6-8)19-16)18-11(7-20)3-1-2-4-11/h5-6,20H,1-4,7,16H2,(H2,17,18,19).
What are the key properties of [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol?
[1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 102720689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).